Compound Identification
SMILES
FC1=CC2=C(C=C1)N=C(S2)N1C(C(C(=O)C2=CC=CO2)C(=O)C1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=BHAHZKXMMMDWTE-UHFFFAOYSA-N
Formula
C22H12BrFN2O4S
Mass
499.31
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Benzothiazoles Aryl alkyl ketones Beta-diketones Bromobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl bromides Aryl fluorides Thiazoles Tertiary carboxylic acid amides Pyrroles Furans Heteroaromatic compounds Lactams Cyclic ketones Oxacyclic compounds Azacyclic compounds Organic oxides Organobromides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - 1,3-benzothiazole - Aryl ketone - Aryl alkyl ketone - Halobenzene - Bromobenzene - 1,3-diketone - Aryl fluoride - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Benzenoid - Furan - Heteroaromatic compound - Pyrrole - Azole - Tertiary carboxylic acid amide - Thiazole - Cyclic ketone - Carboxamide group - Ketone - Lactam - Oxacycle - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organobromide - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available